SCHEMBL7746342

SCHEMBL7746342

O=C(O)C(CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23501303 0.91 CYP3A4 (0.48) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL23501328 0.89 ALDH1A1 (0.53) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL30744196 0.89 ALDH1A1 (0.53) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL24032681 0.85 MMP2 (0.51) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL30320978 0.84 MMP2 (0.49) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL24032683 0.84 MMP2 (0.49) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL20773790 0.82 MAPK1 (0.57) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL20773328 0.81 HDAC1 (0.45) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL111498 0.80 KMT2A (0.42) CA12CA9ALDH1A1HDAC1HDAC7
SCHEMBL11779775 0.80 ALDH1A1 (0.53) CA12CA9ALDH1A1KMT2AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A CA12 4594/4885CA9 4651/4885ALDH1A1 2920/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.